Monte carlo simulation of copolymerization by ester interchange reaction in miscible polyester blends

✍ Scribed by Seung Soon Jang; Wan Shik Ha; Won Ho Jo; Ji Ho Youk; Jun Ho Kim; Chong Rae Park

• Publisher: John Wiley and Sons
• Year: 1998
• Tongue: English
• Weight: 245 KB
• Volume: 36
• Category: Article
• ISSN: 0887-6266
• DOI: 10.1002/(sici)1099-0488(19980730)36:10<1637::aid-polb5>3.0.co;2-m

✦ Synopsis

The effects of reaction variables on the degree of randomness in copolymers formed by ester interchange reaction in miscible polyester melt blends were systematically investigated using a Monte Carlo method. Three reaction variables such as the molecular weight difference between two component polymers, the blend ratio, and the reaction ratio of end attack to bond flip, were particularly considered on the cubic lattice model. Ester interchange reactions were assumed to take place during reptational chain motions. It was found that the copolymerization was dependent upon the molecular weight difference and reaction ratio: As the molecular weight difference becomes smaller and when both end attack and bond flip reactions are involved simultaneously, the copolymerization is accelerated. However, the blend ratio does not affect the copolymerization process. This result is discussed in relation to the polymer chain conformation for the ester interchange reaction.